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106718-61-0 | 2,6-Methano-1H-4,1-benzothiazocine, 2,3,5,6-tetrahydro-2-methyl-
CAS No: 106718-61-0 Catalog No: AG007BV2 MDL No:
Product Description
Catalog Number:
AG007BV2
Chemical Name:
2,6-Methano-1H-4,1-benzothiazocine, 2,3,5,6-tetrahydro-2-methyl-
CAS Number:
106718-61-0
Molecular Formula:
C12H15NS
Molecular Weight:
205.3192
IUPAC Name:
9-methyl-11-thia-8-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene
InChI:
InChI=1S/C12H15NS/c1-12-6-9(7-14-8-12)10-4-2-3-5-11(10)13-12/h2-5,9,13H,6-8H2,1H3
InChI Key:
HNVNFCDBDMAHCD-UHFFFAOYSA-N
SMILES:
CC12CSCC(C1)c1c(N2)cccc1
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.093g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.319g/mol
Monoisotopic Mass:
205.093g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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